N-[4-(2,5-dimethoxybenzimidazol-1-yl)phenyl]-5-fluoro-4-methylpyridine-3-carboxamide

C22H19FN4O3 — CID 70978178

IUPACN-[4-(2,5-dimethoxybenzimidazol-1-yl)phenyl]-5-fluoro-4-methylpyridine-3-carboxamide
SMILESCOc1ccc2c(c1)nc(OC)n2-c1ccc(NC(=O)c2cncc(F)c2C)cc1
InChIInChI=1S/C22H19FN4O3/c1-13-17(11-24-12-18(13)23)21(28)25-14-4-6-15(7-5-14)27-20-9-8-16(29-2)10-19(20)26-22(27)30-3/h4-12H,1-3H3,(H,25,28)
InChIKeyPNXXZLAFWDEOBC-UHFFFAOYSA-N
MW406.42 g/mol
LogP4.14
Rot. Bonds5

About N-[4-(2,5-dimethoxybenzimidazol-1-yl)phenyl]-5-fluoro-4-methylpyridine-3-carboxamide

N-[4-(2,5-dimethoxybenzimidazol-1-yl)phenyl]-5-fluoro-4-methylpyridine-3-carboxamide (PubChem CID 70978178) has the molecular formula C22H19FN4O3 and a molecular weight of 406.42 g/mol. Its IUPAC name is N-[4-(2,5-dimethoxybenzimidazol-1-yl)phenyl]-5-fluoro-4-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2,5-dimethoxybenzimidazol-1-yl)phenyl]-5-fluoro-4-methylpyridine-3-carboxamide
PubChem CID70978178
Molecular FormulaC22H19FN4O3
Molecular Weight406.42 g/mol
Exact Mass406.14
IUPAC NameN-[4-(2,5-dimethoxybenzimidazol-1-yl)phenyl]-5-fluoro-4-methylpyridine-3-carboxamide
SMILESCOc1ccc2c(c1)nc(OC)n2-c1ccc(NC(=O)c2cncc(F)c2C)cc1
InChIInChI=1S/C22H19FN4O3/c1-13-17(11-24-12-18(13)23)21(28)25-14-4-6-15(7-5-14)27-20-9-8-16(29-2)10-19(20)26-22(27)30-3/h4-12H,1-3H3,(H,25,28)
InChIKeyPNXXZLAFWDEOBC-UHFFFAOYSA-N
XLogP4.14
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.42
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methoxy-N-[4-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]benzamide
CID 11619091
N-[4-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]furan-2-carboxamide
CID 59296731
N-[4-[5-methoxy-2-(2,2,2-trifluoroethyl)benzimidazol-1-yl]phenyl]-2-nitrobenzamide
CID 143205821
2,4-difluoro-N-[4-[5-methyl-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]benzamide
CID 143549874
5-fluoro-N-[5-[(Z)-N-hydroxy-C-(4-methoxyphenyl)carbonimidoyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide
CID 89184688
N-(3-fluoro-4-methylphenyl)-3-(4-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 7137394
3-fluoro-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-2-pyridinyl]benzamide
CID 24850023
2,3,5,6-tetrafluoro-1-N,4-N-bis(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 1014494
2,4,5-trifluoro-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]benzamide
CID 58993848
5-amino-2,4-difluoro-N-(4-methoxyphenyl)benzamide
CID 61092438
N-(5-fluoro-3-pyridinyl)-4-methoxybenzamide
CID 110872306
2,5-dimethoxy-N-(4-methoxyphenyl)benzamide
CID 8574615

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dimethoxybenzimidazol-1-yl)phenyl]-5-fluoro-4-methylpyridine-3-carboxamide?
The IUPAC name of N-[4-(2,5-dimethoxybenzimidazol-1-yl)phenyl]-5-fluoro-4-methylpyridine-3-carboxamide (CID 70978178) is N-[4-(2,5-dimethoxybenzimidazol-1-yl)phenyl]-5-fluoro-4-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[4-(2,5-dimethoxybenzimidazol-1-yl)phenyl]-5-fluoro-4-methylpyridine-3-carboxamide?
The canonical SMILES for N-[4-(2,5-dimethoxybenzimidazol-1-yl)phenyl]-5-fluoro-4-methylpyridine-3-carboxamide is COc1ccc2c(c1)nc(OC)n2-c1ccc(NC(=O)c2cncc(F)c2C)cc1.
What is the InChIKey of N-[4-(2,5-dimethoxybenzimidazol-1-yl)phenyl]-5-fluoro-4-methylpyridine-3-carboxamide?
The InChIKey is PNXXZLAFWDEOBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O3/c1-13-17(11-24-12-18(13)23)21(28)25-14-4-6-15(7-5-14)27-20-9-8-16(29-2)10-19(20)26-22(27)30-3/h4-12H,1-3H3,(H,25,28).
What are the key properties of N-[4-(2,5-dimethoxybenzimidazol-1-yl)phenyl]-5-fluoro-4-methylpyridine-3-carboxamide?
N-[4-(2,5-dimethoxybenzimidazol-1-yl)phenyl]-5-fluoro-4-methylpyridine-3-carboxamide has a molecular weight of 406.42 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-dimethoxybenzimidazol-1-yl)phenyl]-5-fluoro-4-methylpyridine-3-carboxamide is sourced from PubChem (CID 70978178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).